Fig. 1. Supercell models of first-principles calculations. (a) supercell models of bulk optimization for binary, ternary and quaternary L12-Co-based phases; (b) top view of stacking fault supercells with atomic distributions of A, B and C layers; (c) generation of APB and CSF through planar shearing; (d) generation of SISF and SESF through planar shearing along [1̅1̅2] direction.

Fig. 1. Supercell models of first-principles calculations. (a) supercell models of bulk optimization for binary, ternary and quaternary L12-Co-based phases; (b) top view of stacking fault supercells with atomic distributions of A, B and C layers; (c) generation of APB and CSF through planar shearing; (d) generation of SISF and SESF through planar shearing along [1̅1̅2] direction.